SCHEMBL2293313

SCHEMBL2293313

OCc1cc(F)ccc1OCCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
PPARA Q07869 1/20 0.47
CYP11B1 P15538 3/20 0.45
CYP11B2 P19099 3/20 0.45
CYP19A1 P11511 1/20 0.45
PTGES O14684 3/20 0.42
ALOX5 P09917 3/20 0.42
PPARG P37231 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
CASR P41180 1/20 0.41
LRRK2 Q5S007 1/20 0.40
PTPN1 P18031 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
PSEN1 P49768 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8233556 0.86 PPARD (0.51) PPARDPPARAPTGESALOX5PPARG
SCHEMBL13881105 0.85 CYP11B1 (0.51) PPARDPPARACYP11B1CYP11B2CYP19A1
SCHEMBL9076170 0.83 CYP11B1 (0.56) CYP11B1CYP11B2PTGESALOX5PPARG
SCHEMBL2676421 0.83 PPARD (0.48) PPARDPPARAPTGESALOX5PPARG
SCHEMBL4547664 0.79 CYP11B1 (0.45) PPARDPPARACYP11B1CYP11B2CYP19A1
Bromide SCHEMBL2296471 0.78 PPARD (0.48) PPARDPPARACYP11B1CYP11B2CYP19A1
SCHEMBL2292469 0.76 PPARA (0.51) PPARDPPARAPTGESALOX5PPARG
SCHEMBL2297293 0.75 EGLN1 (0.39) PPARDPPARAPPARGCASRSCN8A
SCHEMBL2294860 0.74 CASR (0.41) CASRSCN8ASCN10A
SCHEMBL2294379 0.74 RXRA (0.45) PPARDLRRK2PTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
EP-1940808-B1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2013-11-27 EP disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-8173704-B2 Difluorophenol derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-08 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090291993-A1 Difluorophenol Derivatives and Their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-26 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
EP-1940811-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
EP-1940808-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045369-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
WO-2007045369-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 PPARD 191/4885PPARA 227/4885CYP11B1 7/4885
US-20090291993-A1 Difluorophenol Derivatives and Their Use TPMT, FABP3, DPP4 PPARD 17/4885PPARA 70/4885CYP11B1 393/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.